#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ch1 s GLN 2 N 0.00 4.40 -0.11 9.51 -2.07 -1.26 -4.84 119.66 125.30 3ch1 s GLN 2 Ca 0.00 1.11 0.02 0.00 -1.82 0.00 0.00 55.36 54.66 3ch1 s GLN 2 Cb 0.00 -2.77 -0.01 0.00 -1.09 0.00 0.00 33.01 29.14 3ch1 s GLN 2 CO 0.00 0.30 -0.17 0.15 -1.32 0.00 0.00 175.29 174.25 3ch1 s LYS 3 N -2.14 3.17 -0.02 9.60 1.02 -0.48 -4.94 119.74 125.96 3ch1 s LYS 3 Ca 0.48 -0.75 -0.24 0.00 0.02 0.00 0.00 55.97 55.48 3ch1 s LYS 3 Cb -0.17 -2.49 -0.04 0.00 -0.52 0.00 0.00 37.83 34.61 3ch1 s LYS 3 CO 0.22 0.25 0.71 0.95 -0.92 0.00 0.00 175.35 176.55 3ch1 s THR 4 N 0.23 4.93 0.33 2.17 -4.23 -1.26 -2.20 115.64 115.62 3ch1 s THR 4 Ca -0.11 1.48 -0.29 0.00 -1.18 0.00 0.00 61.69 61.60 3ch1 s THR 4 Cb -0.16 -4.05 -0.12 0.00 1.34 0.00 0.00 72.50 69.51 3ch1 s THR 4 CO 0.06 0.31 1.42 -0.81 -0.54 0.00 0.00 174.62 175.06 3ch1 n PRO 5 N 3.35 2.38 -3.76 3.99 -0.04 -1.26 -4.64 135.00 135.02 3ch1 n PRO 5 Ca -0.02 0.84 -0.36 0.00 -0.04 0.00 0.00 63.50 63.91 3ch1 n PRO 5 Cb 0.51 -2.51 -0.07 0.00 -0.04 0.00 0.00 33.50 31.39 3ch1 n PRO 5 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3ch1 s GLN 6 N -1.51 3.79 -0.05 0.54 -1.52 -0.09 -4.92 119.66 115.89 3ch1 s GLN 6 Ca 0.58 -0.08 0.03 0.00 -1.95 0.00 0.00 55.36 53.94 3ch1 s GLN 6 Cb -0.54 -3.29 0.01 0.00 -0.22 0.00 0.00 33.01 28.97 3ch1 s GLN 6 CO 0.59 0.57 -0.13 0.42 -0.25 0.00 0.00 175.29 176.49 3ch1 s ILE 7 N -0.47 1.14 -0.03 1.08 1.01 -1.26 -0.96 121.20 121.70 3ch1 s ILE 7 Ca 0.14 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.32 3ch1 s ILE 7 Cb -0.12 -1.02 -0.00 0.00 0.01 0.00 0.00 42.46 41.32 3ch1 s ILE 7 CO 0.03 0.35 -0.14 -1.10 0.00 0.00 0.00 174.94 174.08 3ch1 s GLN 8 N 0.48 1.41 -0.14 2.79 -0.21 -0.31 -4.98 119.66 118.70 3ch1 s GLN 8 Ca -0.11 -0.49 0.02 0.00 0.02 0.00 0.00 55.36 54.81 3ch1 s GLN 8 Cb -0.14 -1.27 0.01 0.00 1.00 0.00 0.00 33.01 32.62 3ch1 s GLN 8 CO 0.03 0.21 -0.21 0.08 -2.12 0.00 0.00 175.29 173.28 3ch1 s VAL 9 N 0.04 1.99 0.11 1.09 1.01 -1.26 -0.71 120.40 122.66 3ch1 s VAL 9 Ca -0.02 -0.93 -0.26 0.00 0.00 0.00 0.00 61.98 60.76 3ch1 s VAL 9 Cb -0.10 -1.76 0.08 0.00 0.00 0.00 0.00 36.38 34.60 3ch1 s VAL 9 CO 0.01 0.54 0.97 -0.72 0.00 0.00 0.00 175.10 175.90 3ch1 s TYR 10 N 0.84 -0.16 0.10 5.22 1.13 -0.91 -4.48 117.35 119.08 3ch1 s TYR 10 Ca -0.07 -0.09 0.04 0.00 -1.41 0.00 0.00 57.07 55.54 3ch1 s TYR 10 Cb -0.15 0.61 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 3ch1 s TYR 10 CO -0.02 -0.73 0.06 -1.54 -2.51 0.00 0.00 175.55 170.82 3ch1 s SER 11 N -2.85 5.37 0.09 -0.18 1.04 -1.26 0.30 113.70 116.21 3ch1 s SER 11 Ca 0.11 -0.08 -0.34 0.00 0.48 0.00 0.00 55.95 56.12 3ch1 s SER 11 Cb -0.01 -1.39 -0.16 0.00 0.10 0.00 0.00 66.02 64.57 3ch1 s SER 11 CO -0.00 0.16 1.58 -0.09 0.98 0.00 0.00 173.24 175.87 3ch1 h ARG 12 N 3.21 -0.89 -6.23 4.02 2.43 -1.43 -3.45 114.38 112.04 3ch1 h ARG 12 Ca -0.47 0.06 -0.47 0.00 -0.81 0.00 0.00 59.98 58.29 3ch1 h ARG 12 Cb 1.17 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.90 3ch1 h ARG 12 CO 0.64 -0.60 -0.42 -1.01 -1.51 0.00 0.00 179.97 177.07 3ch1 s HIS 13 N -5.93 3.18 0.25 2.20 3.76 -1.26 -5.06 115.29 112.43 3ch1 s HIS 13 Ca -0.18 -0.15 -0.31 0.00 -0.15 0.00 0.00 55.06 54.27 3ch1 s HIS 13 Cb 0.05 -1.71 -0.12 0.00 1.11 0.00 0.00 32.58 31.91 3ch1 s HIS 13 CO 0.62 0.27 1.65 -2.30 -0.85 0.00 0.00 174.74 174.13 3ch1 n PRO 14 N -1.43 2.71 -2.54 8.40 -0.02 -1.26 -4.90 135.00 135.96 3ch1 n PRO 14 Ca -0.05 0.97 -0.38 0.00 -2.02 0.00 0.00 63.50 62.03 3ch1 n PRO 14 Cb 0.58 -2.78 -0.04 0.00 -0.02 0.00 0.00 33.50 31.23 3ch1 n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ch1 s PRO 15 N 0.29 4.34 -0.25 0.52 0.04 -1.26 -5.03 135.00 133.63 3ch1 s PRO 15 Ca 0.69 1.59 -0.02 0.00 0.04 0.00 0.00 61.00 63.30 3ch1 s PRO 15 Cb -0.51 -2.76 0.14 0.00 0.04 0.00 0.00 34.50 31.42 3ch1 s PRO 15 CO 0.41 -0.00 0.40 -2.00 0.04 0.00 0.00 177.00 175.84 3ch1 s GLU 16 N -2.14 0.37 -0.28 4.56 2.12 -1.26 -5.12 118.70 116.96 3ch1 s GLU 16 Ca 0.53 0.53 -0.41 0.00 0.36 0.00 0.00 54.97 55.98 3ch1 s GLU 16 Cb -0.25 -0.38 -0.17 0.00 0.26 0.00 0.00 34.13 33.59 3ch1 s GLU 16 CO 0.31 -0.68 1.62 0.09 -0.54 0.00 0.00 175.26 176.07 3ch1 n ASN 17 N 5.37 1.87 0.00 -1.70 3.02 -1.26 -0.38 115.26 122.18 3ch1 n ASN 17 Ca -0.03 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.63 3ch1 n ASN 17 Cb 0.50 -1.07 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 3ch1 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ch1 n GLY 18 N 3.80 0.71 3.22 7.41 0.00 0.43 -4.99 105.19 115.78 3ch1 n GLY 18 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 3ch1 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ch1 s LYS 19 N -0.17 2.90 0.29 1.61 2.36 0.49 -5.00 119.74 122.22 3ch1 s LYS 19 Ca 0.00 -0.94 -0.28 0.00 -2.55 0.00 0.00 55.97 52.20 3ch1 s LYS 19 Cb 0.00 -3.02 -0.14 0.00 -1.05 0.00 0.00 37.83 33.62 3ch1 s LYS 19 CO 0.00 -0.39 1.10 -2.30 1.55 0.00 0.00 175.35 175.32 3ch1 n PRO 20 N 4.70 1.56 -2.85 4.03 -0.02 -1.26 -4.33 135.00 136.82 3ch1 n PRO 20 Ca -0.16 0.55 -0.08 0.00 -2.02 0.00 0.00 63.50 61.78 3ch1 n PRO 20 Cb 0.47 -1.99 -0.02 0.00 -0.02 0.00 0.00 33.50 31.95 3ch1 n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3ch1 n ASN 21 N 1.21 -0.77 -4.08 2.55 2.85 0.34 -4.97 115.26 112.39 3ch1 n ASN 21 Ca 0.09 -2.02 -0.26 0.00 -0.11 0.00 0.00 54.58 52.28 3ch1 n ASN 21 Cb 0.32 1.42 -0.16 0.00 1.24 0.00 0.00 39.78 42.60 3ch1 n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3ch1 s ILE 22 N -2.63 1.32 -0.23 -1.44 1.01 -1.26 -0.94 121.20 117.02 3ch1 s ILE 22 Ca 0.15 -0.61 -0.10 0.00 0.00 0.00 0.00 60.65 60.10 3ch1 s ILE 22 Cb -0.01 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.25 3ch1 s ILE 22 CO 0.11 0.39 0.13 -0.22 0.00 0.00 0.00 174.94 175.36 3ch1 s LEU 23 N 0.42 3.98 -0.11 2.97 2.96 0.11 -0.96 118.68 128.05 3ch1 s LEU 23 Ca -0.11 0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 53.81 3ch1 s LEU 23 Cb -0.14 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 3ch1 s LEU 23 CO 0.04 0.06 0.07 0.20 -1.32 0.00 0.00 176.35 175.40 3ch1 s ASN 24 N 1.06 5.81 -0.21 3.68 0.01 0.15 -1.57 114.94 123.87 3ch1 s ASN 24 Ca 0.07 0.30 0.01 0.00 -0.71 0.00 0.00 52.86 52.52 3ch1 s ASN 24 Cb -0.14 -1.79 0.05 0.00 0.41 0.00 0.00 41.25 39.78 3ch1 s ASN 24 CO 0.04 0.38 -0.11 0.00 -1.51 0.00 0.00 177.10 175.90 3ch1 s TYR 26 N 1.34 3.22 -0.17 0.00 5.04 0.11 -0.18 117.35 126.72 3ch1 s TYR 26 Ca -0.02 -1.56 -0.02 0.00 -2.44 0.00 0.00 57.07 53.03 3ch1 s TYR 26 Cb -0.17 -2.18 -0.01 0.00 0.35 0.00 0.00 41.96 39.95 3ch1 s TYR 26 CO -0.08 -0.74 -0.10 0.08 -1.34 0.00 0.00 175.55 173.37 3ch1 s VAL 27 N 1.35 3.07 0.21 3.14 1.01 -0.08 -1.16 120.40 127.94 3ch1 s VAL 27 Ca -0.02 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.35 3ch1 s VAL 27 Cb -0.19 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 3ch1 s VAL 27 CO 0.00 0.49 0.04 0.42 0.00 0.00 0.00 175.10 176.05 3ch1 s THR 28 N 0.91 0.66 -1.26 3.92 -4.23 -0.14 -0.18 115.64 115.33 3ch1 s THR 28 Ca -0.02 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 58.48 3ch1 s THR 28 Cb -0.15 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.34 3ch1 s THR 28 CO -0.00 -0.26 0.22 0.00 -0.54 0.00 0.00 174.62 174.04 3ch1 n GLN 29 N -0.35 -2.45 -4.21 3.99 1.13 -0.72 -0.91 117.38 113.85 3ch1 n GLN 29 Ca -0.04 0.73 -0.27 0.00 -1.94 0.00 0.00 57.00 55.48 3ch1 n GLN 29 Cb 0.65 -5.11 -0.08 0.00 0.11 0.00 0.00 30.24 25.80 3ch1 n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 3ch1 s PHE 30 N -2.90 2.83 -0.23 1.08 -0.71 -1.09 -4.21 117.98 112.75 3ch1 s PHE 30 Ca 0.11 -0.14 -0.19 0.00 -1.04 0.00 0.00 56.93 55.67 3ch1 s PHE 30 Cb -0.05 -1.37 0.06 0.00 -1.21 0.00 0.00 43.02 40.45 3ch1 s PHE 30 CO 0.14 0.52 0.60 -1.58 -1.34 0.00 0.00 175.22 173.55 3ch1 s HIS 31 N -1.72 -0.70 0.97 3.49 2.46 -0.93 -1.33 115.29 117.53 3ch1 s HIS 31 Ca 0.27 1.65 -0.12 0.00 0.47 0.00 0.00 55.06 57.33 3ch1 s HIS 31 Cb -0.09 0.27 0.17 0.00 -0.13 0.00 0.00 32.58 32.81 3ch1 s HIS 31 CO 0.18 -0.34 1.09 -1.25 -2.47 0.00 0.00 174.74 171.95 3ch1 s PRO 32 N 0.54 0.63 0.55 2.88 0.04 -1.26 -1.38 135.00 137.00 3ch1 s PRO 32 Ca -0.02 0.58 0.32 0.00 0.04 0.00 0.00 61.00 61.92 3ch1 s PRO 32 Cb -0.05 -1.75 1.55 0.00 0.04 0.00 0.00 34.50 34.29 3ch1 s PRO 32 CO -0.02 -2.61 2.08 -1.00 0.04 0.00 0.00 177.00 175.48 3ch1 h PRO 33 N -1.81 0.00 -6.50 0.56 0.13 -1.99 -3.44 132.00 118.95 3ch1 h PRO 33 Ca -0.53 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.06 3ch1 h PRO 33 Cb 1.32 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.47 3ch1 h PRO 33 CO 0.57 0.08 0.77 -1.58 -0.23 0.00 0.00 178.00 177.61 3ch1 s HIS 34 N -4.00 3.09 -0.04 1.56 5.65 -1.26 -4.99 115.29 115.31 3ch1 s HIS 34 Ca -0.02 0.87 -0.20 0.00 0.25 0.00 0.00 55.06 55.96 3ch1 s HIS 34 Cb 0.12 -3.70 0.04 0.00 -1.18 0.00 0.00 32.58 27.86 3ch1 s HIS 34 CO 0.55 -2.51 0.45 -1.50 -0.65 0.00 0.00 174.74 171.07 3ch1 s ILE 35 N 1.51 0.03 -0.20 0.89 2.07 -1.26 -4.67 121.20 119.58 3ch1 s ILE 35 Ca 0.65 -0.29 -0.02 0.00 -1.41 0.00 0.00 60.65 59.59 3ch1 s ILE 35 Cb -0.36 -0.75 0.00 0.00 0.13 0.00 0.00 42.46 41.49 3ch1 s ILE 35 CO 0.30 -0.16 -0.11 -1.61 -1.91 0.00 0.00 174.94 171.45 3ch1 s GLU 36 N -1.19 3.23 -0.12 3.50 2.02 -0.11 -5.00 118.70 121.03 3ch1 s GLU 36 Ca -0.12 -0.71 0.02 0.00 0.02 0.00 0.00 54.97 54.19 3ch1 s GLU 36 Cb -0.03 -2.83 0.01 0.00 0.10 0.00 0.00 34.13 31.38 3ch1 s GLU 36 CO 0.06 -0.19 -0.20 0.42 0.02 0.00 0.00 175.26 175.37 3ch1 s ILE 37 N 1.36 1.86 -0.05 -1.63 1.01 -1.26 0.11 121.20 122.60 3ch1 s ILE 37 Ca 0.05 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.88 3ch1 s ILE 37 Cb -0.14 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 3ch1 s ILE 37 CO -0.07 0.51 -0.21 -1.10 0.00 0.00 0.00 174.94 174.08 3ch1 s GLN 38 N 0.78 2.13 -0.13 2.79 -0.21 0.36 -5.00 119.66 120.39 3ch1 s GLN 38 Ca -0.09 -0.75 -0.05 0.00 0.02 0.00 0.00 55.36 54.49 3ch1 s GLN 38 Cb -0.16 -1.84 -0.04 0.00 1.00 0.00 0.00 33.01 31.98 3ch1 s GLN 38 CO 0.00 0.32 0.04 -1.64 -2.12 0.00 0.00 175.29 171.89 3ch1 s MET 39 N -0.08 3.50 0.02 2.91 -1.94 -1.26 -0.10 119.30 122.36 3ch1 s MET 39 Ca -0.03 -0.35 0.08 0.00 -1.71 0.00 0.00 55.69 53.68 3ch1 s MET 39 Cb -0.12 -3.03 -0.03 0.00 2.01 0.00 0.00 34.83 33.66 3ch1 s MET 39 CO 0.03 0.51 -0.24 -0.51 -0.01 0.00 0.00 175.02 174.80 3ch1 s LEU 40 N -0.31 2.24 -0.18 -0.03 1.43 -0.13 -0.45 118.68 121.25 3ch1 s LEU 40 Ca 0.08 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 3ch1 s LEU 40 Cb -0.12 -1.36 0.02 0.00 0.03 0.00 0.00 46.19 44.76 3ch1 s LEU 40 CO 0.02 0.28 -0.19 -0.75 0.23 0.00 0.00 176.35 175.94 3ch1 s LYS 41 N -1.05 3.02 -1.70 1.70 2.20 0.65 -2.12 119.74 122.44 3ch1 s LYS 41 Ca 0.12 -0.82 -0.16 0.00 -0.36 0.00 0.00 55.97 54.75 3ch1 s LYS 41 Cb -0.10 -2.59 0.15 0.00 -1.51 0.00 0.00 37.83 33.78 3ch1 s LYS 41 CO 0.02 -0.19 0.62 0.09 -0.36 0.00 0.00 175.35 175.53 3ch1 n ASN 42 N 4.58 -2.17 0.00 1.43 3.02 -0.20 -1.10 115.26 120.82 3ch1 n ASN 42 Ca -0.21 -1.10 0.00 0.00 -0.03 0.00 0.00 54.58 53.25 3ch1 n ASN 42 Cb 0.50 -2.38 0.00 0.00 -0.61 0.00 0.00 39.78 37.29 3ch1 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ch1 n GLY 43 N -1.50 0.83 3.42 7.41 0.00 -1.26 -5.02 105.19 109.06 3ch1 n GLY 43 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3ch1 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ch1 s LYS 44 N -0.24 3.43 -0.41 1.61 3.01 -0.26 -5.02 119.74 121.86 3ch1 s LYS 44 Ca 0.00 -0.63 -0.45 0.00 -1.01 0.00 0.00 55.97 53.88 3ch1 s LYS 44 Cb 0.00 -2.70 -0.19 0.00 -1.01 0.00 0.00 37.83 33.93 3ch1 s LYS 44 CO 0.00 0.25 1.61 1.63 0.51 0.00 0.00 175.35 179.34 3ch1 n LYS 45 N 3.45 0.31 -2.78 1.68 4.76 -1.26 -0.25 118.16 124.08 3ch1 n LYS 45 Ca -0.18 0.12 -0.42 0.00 -2.87 0.00 0.00 58.31 54.96 3ch1 n LYS 45 Cb 0.53 -1.66 -0.03 0.00 -1.84 0.00 0.00 35.03 32.02 3ch1 n LYS 45 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ch1 s ILE 46 N 2.95 4.88 0.03 -0.18 1.01 0.40 -4.84 121.20 125.46 3ch1 s ILE 46 Ca 1.02 1.91 -0.17 0.00 0.00 0.00 0.00 60.65 63.41 3ch1 s ILE 46 Cb -1.37 -4.25 -0.29 0.00 0.01 0.00 0.00 42.46 36.56 3ch1 s ILE 46 CO 0.76 0.12 1.07 1.55 0.00 0.00 0.00 174.94 178.43 3ch1 h PRO 47 N 6.93 0.54 -2.23 2.79 0.13 -1.92 -3.39 132.00 134.85 3ch1 h PRO 47 Ca -0.37 -0.73 -0.78 0.00 -0.87 0.00 0.00 66.00 63.25 3ch1 h PRO 47 Cb 1.19 0.24 -0.29 0.00 0.13 0.00 0.00 31.00 32.27 3ch1 h PRO 47 CO 0.79 1.32 0.84 1.63 -0.23 0.00 0.00 178.00 182.35 3ch1 n LYS 48 N -3.91 5.00 -2.89 0.86 4.76 -1.26 -4.99 118.16 115.73 3ch1 n LYS 48 Ca -0.13 -4.61 -0.41 0.00 -2.87 0.00 0.00 58.31 50.28 3ch1 n LYS 48 Cb 0.92 -2.43 -0.04 0.00 -1.84 0.00 0.00 35.03 31.64 3ch1 n LYS 48 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3ch1 s VAL 49 N -4.42 4.88 0.04 -0.18 1.01 -1.26 -4.89 120.40 115.57 3ch1 s VAL 49 Ca 0.41 1.63 -0.23 0.00 0.00 0.00 0.00 61.98 63.79 3ch1 s VAL 49 Cb 0.22 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 3ch1 s VAL 49 CO -0.15 0.02 0.68 -1.61 0.00 0.00 0.00 175.10 174.04 3ch1 s GLU 50 N 2.16 4.41 -0.07 2.72 2.02 -0.40 -4.93 118.70 124.61 3ch1 s GLU 50 Ca 0.38 0.91 0.05 0.00 0.02 0.00 0.00 54.97 56.33 3ch1 s GLU 50 Cb -0.16 -3.34 -0.00 0.00 0.10 0.00 0.00 34.13 30.72 3ch1 s GLU 50 CO 0.12 0.37 -0.22 1.41 0.02 0.00 0.00 175.26 176.96 3ch1 s MET 51 N -0.27 2.48 0.66 1.61 1.75 -1.26 -0.49 119.30 123.77 3ch1 s MET 51 Ca 0.34 -0.79 -0.13 0.00 -1.25 0.00 0.00 55.69 53.86 3ch1 s MET 51 Cb -0.20 -2.01 -0.00 0.00 2.84 0.00 0.00 34.83 35.46 3ch1 s MET 51 CO 0.21 0.26 1.08 -1.54 -0.65 0.00 0.00 175.02 174.37 3ch1 s SER 52 N 0.11 5.31 0.63 1.11 1.04 -0.60 -5.02 113.70 116.30 3ch1 s SER 52 Ca -0.10 1.81 -0.14 0.00 0.48 0.00 0.00 55.95 58.01 3ch1 s SER 52 Cb -0.15 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.43 3ch1 s SER 52 CO 0.05 -1.49 1.05 -1.81 0.98 0.00 0.00 173.24 172.03 3ch1 s ASP 53 N -3.10 5.65 -0.24 7.02 1.01 -1.26 -4.78 116.67 120.98 3ch1 s ASP 53 Ca 0.62 1.71 -0.39 0.00 0.71 0.00 0.00 52.55 55.20 3ch1 s ASP 53 Cb -0.17 -2.51 -0.15 0.00 1.01 0.00 0.00 42.92 41.10 3ch1 s ASP 53 CO 0.46 -1.26 1.74 0.80 0.21 0.00 0.00 175.17 177.12 3ch1 n MET 54 N -2.50 1.27 -3.93 8.23 1.56 -1.26 -4.95 117.12 115.54 3ch1 n MET 54 Ca 0.08 0.47 -0.10 0.00 -0.27 0.00 0.00 57.70 57.88 3ch1 n MET 54 Cb 0.53 -2.16 -0.11 0.00 2.15 0.00 0.00 33.22 33.63 3ch1 n MET 54 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 3ch1 s SER 55 N 3.43 0.14 0.13 6.12 0.01 -1.26 -5.08 113.70 117.20 3ch1 s SER 55 Ca 0.97 -0.35 0.06 0.00 1.31 0.00 0.00 55.95 57.94 3ch1 s SER 55 Cb -1.02 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.31 3ch1 s SER 55 CO 0.63 -0.30 -0.13 0.72 0.41 0.00 0.00 173.24 174.56 3ch1 s PHE 56 N -1.32 1.39 0.61 2.43 -0.12 -1.26 -2.04 117.98 117.67 3ch1 s PHE 56 Ca -0.14 -0.60 0.03 0.00 -0.05 0.00 0.00 56.93 56.17 3ch1 s PHE 56 Cb -0.08 -0.72 0.08 0.00 -0.63 0.00 0.00 43.02 41.67 3ch1 s PHE 56 CO 0.00 0.15 0.84 -1.12 -0.05 0.00 0.00 175.22 175.04 3ch1 s SER 57 N -2.67 4.92 0.00 1.98 0.01 0.49 -4.95 113.70 113.47 3ch1 s SER 57 Ca 0.11 -0.35 0.17 0.00 1.31 0.00 0.00 55.95 57.19 3ch1 s SER 57 Cb -0.03 -0.29 0.82 0.00 0.21 0.00 0.00 66.02 66.73 3ch1 s SER 57 CO 0.03 -1.42 1.53 2.29 0.41 0.00 0.00 173.24 176.08 3ch1 n LYS 58 N -2.46 0.15 -0.16 12.44 2.85 -1.26 -0.42 118.16 129.29 3ch1 n LYS 58 Ca 0.12 0.16 0.09 0.00 -1.05 0.00 0.00 58.31 57.63 3ch1 n LYS 58 Cb 0.60 -1.50 0.27 0.00 -0.65 0.00 0.00 35.03 33.76 3ch1 n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3ch1 n ASP 59 N -1.37 2.27 0.00 -5.58 5.75 -1.26 -4.95 116.55 111.41 3ch1 n ASP 59 Ca 0.07 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 3ch1 n ASP 59 Cb 0.16 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 3ch1 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3ch1 n TRP 60 N 0.72 0.00 -2.24 2.11 7.02 0.43 -5.03 117.44 120.45 3ch1 n TRP 60 Ca 0.16 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.33 3ch1 n TRP 60 Cb 0.39 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.27 3ch1 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3ch1 s SER 61 N -2.21 6.46 0.23 -0.99 1.04 -1.26 -4.63 113.70 112.34 3ch1 s SER 61 Ca 0.00 1.46 0.04 0.00 0.48 0.00 0.00 55.95 57.94 3ch1 s SER 61 Cb 0.00 -2.47 -0.03 0.00 0.10 0.00 0.00 66.02 63.62 3ch1 s SER 61 CO 0.00 -0.68 0.36 -0.36 0.98 0.00 0.00 173.24 173.54 3ch1 s PHE 62 N -2.82 3.46 0.02 5.02 0.08 -0.44 -0.38 117.98 122.92 3ch1 s PHE 62 Ca 0.57 0.02 -0.13 0.00 0.12 0.00 0.00 56.93 57.51 3ch1 s PHE 62 Cb -0.10 -1.60 0.02 0.00 -0.57 0.00 0.00 43.02 40.76 3ch1 s PHE 62 CO 0.40 0.43 0.28 1.52 -0.10 0.00 0.00 175.22 177.75 3ch1 s TYR 63 N -1.96 -0.09 -0.01 0.36 1.13 -0.86 -1.75 117.35 114.16 3ch1 s TYR 63 Ca 0.34 0.02 -0.02 0.00 -1.41 0.00 0.00 57.07 56.00 3ch1 s TYR 63 Cb -0.09 0.07 -0.00 0.00 -1.10 0.00 0.00 41.96 40.83 3ch1 s TYR 63 CO 0.29 -0.44 0.05 0.42 -2.51 0.00 0.00 175.55 173.36 3ch1 s ILE 64 N -2.09 0.03 -0.29 -3.49 -1.09 0.75 -4.03 121.20 111.00 3ch1 s ILE 64 Ca -0.08 -0.28 -0.05 0.00 -2.23 0.00 0.00 60.65 58.00 3ch1 s ILE 64 Cb -0.03 -0.18 0.02 0.00 -1.58 0.00 0.00 42.46 40.69 3ch1 s ILE 64 CO -0.01 -0.16 0.05 -0.22 -1.23 0.00 0.00 174.94 173.38 3ch1 s LEU 65 N -0.47 3.74 -0.00 2.97 2.96 -1.26 -0.90 118.68 125.71 3ch1 s LEU 65 Ca -0.05 -0.80 -0.11 0.00 -0.22 0.00 0.00 54.13 52.95 3ch1 s LEU 65 Cb -0.03 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 3ch1 s LEU 65 CO 0.00 -0.19 0.34 0.00 -1.32 0.00 0.00 176.35 175.18 3ch1 s ALA 66 N 1.44 3.76 0.03 5.97 0.00 0.75 -1.56 121.76 132.15 3ch1 s ALA 66 Ca 0.01 -0.38 -0.13 0.00 0.00 0.00 0.00 51.96 51.46 3ch1 s ALA 66 Cb -0.17 -2.24 0.02 0.00 0.00 0.00 0.00 23.12 20.72 3ch1 s ALA 66 CO 0.01 0.55 0.29 -3.38 0.00 0.00 0.00 175.76 173.22 3ch1 s HIS 67 N -1.17 -0.10 -0.04 0.00 -3.43 0.35 0.43 115.29 111.34 3ch1 s HIS 67 Ca 0.25 -0.00 -0.14 0.00 -0.80 0.00 0.00 55.06 54.36 3ch1 s HIS 67 Cb -0.15 0.08 0.02 0.00 -1.43 0.00 0.00 32.58 31.11 3ch1 s HIS 67 CO 0.13 -0.47 0.31 -0.08 -2.00 0.00 0.00 174.74 172.63 3ch1 s THR 68 N -2.29 0.05 0.39 -5.38 -1.32 -0.61 -1.28 115.64 105.20 3ch1 s THR 68 Ca -0.07 -0.39 -0.26 0.00 -1.21 0.00 0.00 61.69 59.76 3ch1 s THR 68 Cb -0.02 -0.58 -0.09 0.00 -1.51 0.00 0.00 72.50 70.30 3ch1 s THR 68 CO -0.02 -0.21 1.29 -1.61 -2.21 0.00 0.00 174.62 171.86 3ch1 s GLU 69 N -1.04 4.06 0.05 7.08 2.02 -1.26 0.06 118.70 129.67 3ch1 s GLU 69 Ca -0.11 2.13 -0.27 0.00 0.02 0.00 0.00 54.97 56.74 3ch1 s GLU 69 Cb -0.05 -2.82 0.08 0.00 0.10 0.00 0.00 34.13 31.44 3ch1 s GLU 69 CO 0.03 -0.41 0.68 -0.59 0.02 0.00 0.00 175.26 175.00 3ch1 s PHE 70 N -1.25 -0.55 -0.18 1.61 -0.71 -0.12 -4.81 117.98 111.96 3ch1 s PHE 70 Ca 0.55 0.62 0.01 0.00 -1.04 0.00 0.00 56.93 57.07 3ch1 s PHE 70 Cb -0.38 0.50 0.02 0.00 -1.21 0.00 0.00 43.02 41.95 3ch1 s PHE 70 CO 0.49 -0.71 -0.19 0.99 -1.34 0.00 0.00 175.22 174.46 3ch1 s THR 71 N -2.63 2.15 0.41 -4.49 2.01 -1.26 0.13 115.64 111.95 3ch1 s THR 71 Ca -0.03 -0.91 -0.24 0.00 0.31 0.00 0.00 61.69 60.82 3ch1 s THR 71 Cb -0.01 -1.91 -0.09 0.00 0.01 0.00 0.00 72.50 70.51 3ch1 s THR 71 CO -0.04 0.53 1.07 -2.16 -0.69 0.00 0.00 174.62 173.34 3ch1 s PRO 72 N 1.28 4.09 0.12 4.92 0.04 -1.26 -4.83 135.00 139.35 3ch1 s PRO 72 Ca 0.04 1.56 0.02 0.00 0.04 0.00 0.00 61.00 62.66 3ch1 s PRO 72 Cb -0.13 -2.52 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 3ch1 s PRO 72 CO -0.12 -0.22 -0.04 0.95 0.04 0.00 0.00 177.00 177.62 3ch1 s THR 73 N -1.64 0.65 0.56 1.26 -4.23 -1.26 -0.42 115.64 110.55 3ch1 s THR 73 Ca 0.59 -1.95 0.35 0.00 -1.18 0.00 0.00 61.69 59.50 3ch1 s THR 73 Cb -0.23 -1.83 0.52 0.00 1.34 0.00 0.00 72.50 72.30 3ch1 s THR 73 CO 0.29 -0.74 1.78 -0.08 -0.54 0.00 0.00 174.62 175.33 3ch1 h GLU 74 N 2.88 0.00 0.00 3.99 4.81 -1.97 -3.25 114.58 121.04 3ch1 h GLU 74 Ca -0.36 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.80 3ch1 h GLU 74 Cb 1.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 3ch1 h GLU 74 CO 0.64 0.00 -1.38 -2.37 -0.73 0.00 0.00 179.01 175.17 3ch1 n THR 75 N -4.03 0.28 -2.93 0.32 5.66 -1.26 -5.00 114.28 107.33 3ch1 n THR 75 Ca 0.23 -0.22 -0.40 0.00 -3.05 0.00 0.00 64.05 60.60 3ch1 n THR 75 Cb 1.20 -0.46 -0.04 0.00 -1.55 0.00 0.00 70.33 69.48 3ch1 n THR 75 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3ch1 s ASP 76 N -3.43 7.16 -0.07 1.09 1.01 -1.23 -5.05 116.67 116.15 3ch1 s ASP 76 Ca -0.03 1.39 -0.09 0.00 0.71 0.00 0.00 52.55 54.53 3ch1 s ASP 76 Cb 0.03 -2.47 -0.05 0.00 1.01 0.00 0.00 42.92 41.44 3ch1 s ASP 76 CO 0.26 -0.13 0.24 0.42 0.21 0.00 0.00 175.17 176.16 3ch1 s THR 77 N 0.69 5.34 0.05 -1.27 -4.23 -1.26 -4.75 115.64 110.21 3ch1 s THR 77 Ca 0.42 0.39 0.07 0.00 -1.18 0.00 0.00 61.69 61.40 3ch1 s THR 77 Cb -0.19 -3.51 -0.03 0.00 1.34 0.00 0.00 72.50 70.11 3ch1 s THR 77 CO 0.22 0.57 -0.20 -0.31 -0.54 0.00 0.00 174.62 174.36 3ch1 s TYR 78 N -1.08 1.78 0.21 3.99 1.51 -1.26 -1.03 117.35 121.47 3ch1 s TYR 78 Ca 0.19 -0.38 -0.13 0.00 -1.01 0.00 0.00 57.07 55.75 3ch1 s TYR 78 Cb -0.14 -1.05 0.00 0.00 -0.11 0.00 0.00 41.96 40.66 3ch1 s TYR 78 CO 0.08 0.10 0.43 0.00 -1.11 0.00 0.00 175.55 175.06 3ch1 s ALA 79 N -0.84 -0.31 -0.08 3.71 0.00 -0.90 0.94 121.76 124.28 3ch1 s ALA 79 Ca 0.07 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.29 3ch1 s ALA 79 Cb -0.09 0.97 0.02 0.00 0.00 0.00 0.00 23.12 24.02 3ch1 s ALA 79 CO 0.02 -0.78 -0.09 0.00 0.00 0.00 0.00 175.76 174.91 3ch1 s ARG 81 N 1.12 3.44 -0.14 0.00 3.52 0.86 -1.26 118.95 126.49 3ch1 s ARG 81 Ca -0.06 -0.60 0.03 0.00 -0.13 0.00 0.00 55.73 54.96 3ch1 s ARG 81 Cb -0.14 -2.98 0.01 0.00 -1.56 0.00 0.00 34.95 30.27 3ch1 s ARG 81 CO -0.01 -0.09 -0.22 0.08 -0.81 0.00 0.00 175.30 174.24 3ch1 s VAL 82 N 1.22 2.08 -0.21 7.11 1.01 0.93 -0.48 120.40 132.06 3ch1 s VAL 82 Ca 0.03 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 3ch1 s VAL 82 Cb -0.14 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 3ch1 s VAL 82 CO -0.01 0.55 -0.09 -0.75 0.00 0.00 0.00 175.10 174.80 3ch1 s LYS 83 N 0.79 3.27 -0.05 2.72 2.20 0.12 -0.76 119.74 128.03 3ch1 s LYS 83 Ca -0.08 -0.68 -0.08 0.00 -0.36 0.00 0.00 55.97 54.77 3ch1 s LYS 83 Cb -0.16 -2.88 0.01 0.00 -1.51 0.00 0.00 37.83 33.30 3ch1 s LYS 83 CO -0.01 -0.19 0.20 -1.58 -0.36 0.00 0.00 175.35 173.40 3ch1 s HIS 84 N 1.40 -0.14 0.58 4.03 2.46 -1.26 -0.93 115.29 121.43 3ch1 s HIS 84 Ca 0.05 0.31 0.29 0.00 0.47 0.00 0.00 55.06 56.17 3ch1 s HIS 84 Cb -0.14 0.04 1.49 0.00 -0.13 0.00 0.00 32.58 33.84 3ch1 s HIS 84 CO -0.06 -0.20 1.93 -0.44 -2.47 0.00 0.00 174.74 173.51 3ch1 h ASP 85 N 5.10 0.00 0.62 9.88 3.32 -1.94 -0.49 116.42 132.91 3ch1 h ASP 85 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3ch1 h ASP 85 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3ch1 h ASP 85 CO 0.39 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.37 3ch1 n SER 86 N -3.87 0.11 -4.22 6.45 3.41 -1.26 -4.73 113.62 109.51 3ch1 n SER 86 Ca 0.09 0.52 -0.29 0.00 -0.26 0.00 0.00 58.87 58.93 3ch1 n SER 86 Cb 0.65 -0.55 -0.16 0.00 -0.26 0.00 0.00 64.21 63.89 3ch1 n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3ch1 s MET 87 N -3.05 2.04 0.12 4.33 -1.94 -0.19 -4.90 119.30 115.70 3ch1 s MET 87 Ca 0.08 -0.77 -0.17 0.00 -1.71 0.00 0.00 55.69 53.11 3ch1 s MET 87 Cb 0.11 -1.82 -0.03 0.00 2.01 0.00 0.00 34.83 35.09 3ch1 s MET 87 CO 0.33 0.38 1.67 0.00 -0.01 0.00 0.00 175.02 177.39 3ch1 h ALA 88 N 5.94 0.42 -4.01 3.03 0.00 -1.85 -3.44 119.26 119.36 3ch1 h ALA 88 Ca -0.35 -0.12 -0.63 0.00 0.00 0.00 0.00 54.91 53.81 3ch1 h ALA 88 Cb 1.16 -0.13 -0.24 0.00 0.00 0.00 0.00 17.79 18.58 3ch1 h ALA 88 CO 0.47 0.01 -0.86 -1.21 0.00 0.00 0.00 179.25 177.67 3ch1 s GLU 89 N -5.61 1.44 0.58 0.00 0.41 -1.26 -5.09 118.70 109.18 3ch1 s GLU 89 Ca -0.13 -1.13 -0.18 0.00 -0.41 0.00 0.00 54.97 53.12 3ch1 s GLU 89 Cb 0.09 -1.70 -0.07 0.00 -1.78 0.00 0.00 34.13 30.68 3ch1 s GLU 89 CO 0.73 0.42 0.75 -2.30 -0.49 0.00 0.00 175.26 174.37 3ch1 n PRO 90 N 1.45 0.70 -4.48 0.39 -0.02 -1.26 -4.92 135.00 126.85 3ch1 n PRO 90 Ca -0.18 0.27 -0.34 0.00 -2.02 0.00 0.00 63.50 61.24 3ch1 n PRO 90 Cb 0.53 -1.93 -0.13 0.00 -0.02 0.00 0.00 33.50 31.95 3ch1 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3ch1 s LYS 91 N -2.41 3.53 -0.19 -0.52 2.20 0.06 -4.91 119.74 117.50 3ch1 s LYS 91 Ca 0.72 -0.59 -0.05 0.00 -0.36 0.00 0.00 55.97 55.69 3ch1 s LYS 91 Cb -0.43 -2.82 -0.03 0.00 -1.51 0.00 0.00 37.83 33.04 3ch1 s LYS 91 CO 0.51 0.17 0.00 0.99 -0.36 0.00 0.00 175.35 176.66 3ch1 s THR 92 N 0.51 4.05 -0.07 3.43 2.01 -1.26 -0.05 115.64 124.27 3ch1 s THR 92 Ca -0.05 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 61.71 3ch1 s THR 92 Cb -0.15 -2.82 -0.01 0.00 0.01 0.00 0.00 72.50 69.53 3ch1 s THR 92 CO 0.03 0.44 -0.22 0.54 -0.69 0.00 0.00 174.62 174.73 3ch1 s VAL 93 N 0.81 2.37 0.05 3.82 0.11 -0.39 -4.97 120.40 122.19 3ch1 s VAL 93 Ca 0.01 -0.95 -0.12 0.00 -2.93 0.00 0.00 61.98 57.98 3ch1 s VAL 93 Cb -0.14 -1.89 -0.06 0.00 -1.53 0.00 0.00 36.38 32.76 3ch1 s VAL 93 CO 0.02 0.57 0.40 -0.31 -3.33 0.00 0.00 175.10 172.45 3ch1 s TYR 94 N -0.20 3.64 0.10 1.54 2.02 -1.26 -0.97 117.35 122.22 3ch1 s TYR 94 Ca -0.02 0.88 -0.31 0.00 -0.37 0.00 0.00 57.07 57.25 3ch1 s TYR 94 Cb -0.13 -2.21 -0.09 0.00 -0.40 0.00 0.00 41.96 39.13 3ch1 s TYR 94 CO 0.03 0.57 1.57 -0.46 -1.57 0.00 0.00 175.55 175.69 3ch1 s TRP 95 N -1.27 2.77 -0.18 2.71 -0.00 0.27 -4.87 118.94 118.37 3ch1 s TRP 95 Ca 0.29 0.54 0.01 0.00 -0.00 0.00 0.00 56.10 56.94 3ch1 s TRP 95 Cb -0.15 -3.89 0.02 0.00 -0.00 0.00 0.00 33.47 29.44 3ch1 s TRP 95 CO 0.16 -3.42 -0.18 0.34 -0.00 0.00 0.00 176.95 173.85 3ch1 s ASP 96 N 1.78 3.28 0.11 5.86 -1.08 -1.26 -4.71 116.67 120.65 3ch1 s ASP 96 Ca 0.71 -0.61 0.21 0.00 -0.52 0.00 0.00 52.55 52.33 3ch1 s ASP 96 Cb -0.40 -1.51 0.85 0.00 -1.46 0.00 0.00 42.92 40.39 3ch1 s ASP 96 CO 0.31 0.00 1.64 -2.11 0.52 0.00 0.00 175.17 175.54 3ch1 n ARG 97 N 4.59 0.09 -0.02 4.34 1.85 -1.26 -1.94 116.66 124.31 3ch1 n ARG 97 Ca -0.21 0.27 0.13 0.00 -1.00 0.00 0.00 57.85 57.05 3ch1 n ARG 97 Cb 0.50 -1.66 0.41 0.00 -1.05 0.00 0.00 32.46 30.67 3ch1 n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3ch1 n ASP 98 N -1.83 1.87 0.00 2.89 8.00 -1.26 -4.81 116.55 121.41 3ch1 n ASP 98 Ca 0.04 -1.64 0.00 0.00 0.71 0.00 0.00 54.79 53.90 3ch1 n ASP 98 Cb 0.24 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3ch1 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04